Recent advances and applications of deep learning methods in materials science

K Choudhary, B DeCost, C Chen, A Jain… - npj Computational …, 2022 - nature.com
Deep learning (DL) is one of the fastest-growing topics in materials data science, with
rapidly emerging applications spanning atomistic, image-based, spectral, and textual data …

Pushing the frontiers in climate modelling and analysis with machine learning

V Eyring, WD Collins, P Gentine, EA Barnes… - Nature Climate …, 2024 - nature.com
Climate modelling and analysis are facing new demands to enhance projections and
climate information. Here we argue that now is the time to push the frontiers of machine …

Revisiting class-incremental learning with pre-trained models: Generalizability and adaptivity are all you need

DW Zhou, ZW Cai, HJ Ye, DC Zhan, Z Liu - arXiv preprint arXiv …, 2023 - arxiv.org
Class-incremental learning (CIL) aims to adapt to emerging new classes without forgetting
old ones. Traditional CIL models are trained from scratch to continually acquire knowledge …

A survey of uncertainty in deep neural networks

J Gawlikowski, CRN Tassi, M Ali, J Lee, M Humt… - Artificial Intelligence …, 2023 - Springer
Over the last decade, neural networks have reached almost every field of science and
become a crucial part of various real world applications. Due to the increasing spread …

Uncertainty quantification in scientific machine learning: Methods, metrics, and comparisons

AF Psaros, X Meng, Z Zou, L Guo… - Journal of Computational …, 2023 - Elsevier
Neural networks (NNs) are currently changing the computational paradigm on how to
combine data with mathematical laws in physics and engineering in a profound way …

What are Bayesian neural network posteriors really like?

P Izmailov, S Vikram, MD Hoffman… - … on machine learning, 2021 - proceedings.mlr.press
The posterior over Bayesian neural network (BNN) parameters is extremely high-
dimensional and non-convex. For computational reasons, researchers approximate this …

Underspecification presents challenges for credibility in modern machine learning

A D'Amour, K Heller, D Moldovan, B Adlam… - Journal of Machine …, 2022 - jmlr.org
Machine learning (ML) systems often exhibit unexpectedly poor behavior when they are
deployed in real-world domains. We identify underspecification in ML pipelines as a key …

Bayesian deep learning and a probabilistic perspective of generalization

AG Wilson, P Izmailov - Advances in neural information …, 2020 - proceedings.neurips.cc
The key distinguishing property of a Bayesian approach is marginalization, rather than using
a single setting of weights. Bayesian marginalization can particularly improve the accuracy …

Dataset cartography: Mapping and diagnosing datasets with training dynamics

S Swayamdipta, R Schwartz, N Lourie, Y Wang… - arXiv preprint arXiv …, 2020 - arxiv.org
Large datasets have become commonplace in NLP research. However, the increased
emphasis on data quantity has made it challenging to assess the quality of data. We …

The role of permutation invariance in linear mode connectivity of neural networks

R Entezari, H Sedghi, O Saukh… - arXiv preprint arXiv …, 2021 - arxiv.org
In this paper, we conjecture that if the permutation invariance of neural networks is taken into
account, SGD solutions will likely have no barrier in the linear interpolation between them …